CID 138113092

Tert-butyl 3-ethynylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C#C
InChI
InChI=1S/C11H18N2O2/c1-5-9-8-13(7-6-12-9)10(14)15-11(2,3)4/h1,9,12H,6-8H2,2-4H3
InChIKey
SHCJWUXVYVUARU-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14411 149.2
[M+Na]+ 233.12605 156.1
[M-H]- 209.12955 146.7
[M+NH4]+ 228.17065 162.8
[M+K]+ 249.09999 153.4
[M+H-H2O]+ 193.13409 136.5
[M+HCOO]- 255.13503 157.9
[M+CH3COO]- 269.15068 191.0
[M+Na-2H]- 231.11150 151.1
[M]+ 210.13628 140.1
[M]- 210.13738 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.